4-(carbamoylamino)-N-pyridin-3-ylbenzamide

C13H12N4O2 — CID 13387851

IUPAC4-(carbamoylamino)-N-pyridin-3-ylbenzamide
SMILESNC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C13H12N4O2/c14-13(19)17-10-5-3-9(4-6-10)12(18)16-11-2-1-7-15-8-11/h1-8H,(H,16,18)(H3,14,17,19)
InChIKeyLQNDNTVCHCQIMG-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.82
Rot. Bonds3

About 4-(carbamoylamino)-N-pyridin-3-ylbenzamide

4-(carbamoylamino)-N-pyridin-3-ylbenzamide (PubChem CID 13387851) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-pyridin-3-ylbenzamide
PubChem CID13387851
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name4-(carbamoylamino)-N-pyridin-3-ylbenzamide
SMILESNC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C13H12N4O2/c14-13(19)17-10-5-3-9(4-6-10)12(18)16-11-2-1-7-15-8-11/h1-8H,(H,16,18)(H3,14,17,19)
InChIKeyLQNDNTVCHCQIMG-UHFFFAOYSA-N
XLogP1.82
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
boric acid;pyridin-3-ylurea
CID 175497836
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
4-[(1-aminocyclopentanecarbonyl)amino]-N-pyridin-3-ylbenzamide
CID 119844785
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
3-amino-4-bromo-N-pyridin-3-ylbenzamide
CID 61090533
4-[(1-aminocyclohexanecarbonyl)amino]-N-pyridin-3-ylbenzamide;dihydrochloride
CID 119844802

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(carbamoylamino)-N-pyridin-3-ylbenzamide (CID 13387851) is 4-(carbamoylamino)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(carbamoylamino)-N-pyridin-3-ylbenzamide is NC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-pyridin-3-ylbenzamide?
The InChIKey is LQNDNTVCHCQIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-13(19)17-10-5-3-9(4-6-10)12(18)16-11-2-1-7-15-8-11/h1-8H,(H,16,18)(H3,14,17,19).
What are the key properties of 4-(carbamoylamino)-N-pyridin-3-ylbenzamide?
4-(carbamoylamino)-N-pyridin-3-ylbenzamide has a molecular weight of 256.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 13387851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).